5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine

C21H24N4O3 — CID 71650296

IUPAC5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCOc2cc(Cc3cnc(N)nc3N)ccc2OC)cc1
InChIInChI=1S/C21H24N4O3/c1-26-17-6-3-14(4-7-17)9-10-28-19-12-15(5-8-18(19)27-2)11-16-13-24-21(23)25-20(16)22/h3-8,12-13H,9-11H2,1-2H3,(H4,22,23,24,25)
InChIKeyXXCHKZZWPISMKA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.87
Rot. Bonds8

About 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine

5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 71650296) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID71650296
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CCOc2cc(Cc3cnc(N)nc3N)ccc2OC)cc1
InChIInChI=1S/C21H24N4O3/c1-26-17-6-3-14(4-7-17)9-10-28-19-12-15(5-8-18(19)27-2)11-16-13-24-21(23)25-20(16)22/h3-8,12-13H,9-11H2,1-2H3,(H4,22,23,24,25)
InChIKeyXXCHKZZWPISMKA-UHFFFAOYSA-N
XLogP2.87
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11617559
5-[[3,4-bis(2-methoxyethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999854
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11419251
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenol;ethane
CID 142411421
5-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 3078601
N-[4-[3-[5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxyphenoxy]propylsulfonyl]phenyl]acetamide
CID 86737614
5-[[4-[2-(1-ethyltriazol-4-yl)ethoxy]-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 134427541
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-propoxyphenol
CID 23470807
5-[[4-[2-[1-((18F)fluoromethyl)triazol-4-yl]ethoxy]-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 134427551
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine (CID 71650296) is 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine is COc1ccc(CCOc2cc(Cc3cnc(N)nc3N)ccc2OC)cc1.
What is the InChIKey of 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XXCHKZZWPISMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-26-17-6-3-14(4-7-17)9-10-28-19-12-15(5-8-18(19)27-2)11-16-13-24-21(23)25-20(16)22/h3-8,12-13H,9-11H2,1-2H3,(H4,22,23,24,25).
What are the key properties of 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 380.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71650296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).